CID 3063391

3-tert-butylamino-1-(2-(2-methoxyethyl)-5-thienyloxy)-2-propanol

Structural Information

Molecular Formula
C14H25NO3S
SMILES
CC(C)(C)NCC(COC1=CC=C(S1)CCOC)O
InChI
InChI=1S/C14H25NO3S/c1-14(2,3)15-9-11(16)10-18-13-6-5-12(19-13)7-8-17-4/h5-6,11,15-16H,7-10H2,1-4H3
InChIKey
SCFULJFQPICIFT-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-[5-(2-methoxyethyl)thiophen-2-yl]oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15552 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.16280 170.7
[M+Na]+ 310.14474 175.4
[M-H]- 286.14824 172.4
[M+NH4]+ 305.18934 187.9
[M+K]+ 326.11868 173.0
[M+H-H2O]+ 270.15278 164.5
[M+HCOO]- 332.15372 186.5
[M+CH3COO]- 346.16937 200.1
[M+Na-2H]- 308.13019 170.1
[M]+ 287.15497 176.1
[M]- 287.15607 176.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.